sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Bmx-in-1

Bmx-in-1

CAS No.:
1431525-23-3
Catalog Number:
AG009C9W
Molecular Formula:
C29H24N4O4S
Molecular Weight:
524.5903
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$123
- +
2mg
98%
1 week
United States
$182
- +
5mg
98%
1 week
United States
$293
- +
10mg
98%
1 week
United States
$473
- +
50mg
98%
1 week
United States
$1098
- +
100mg
98%
1 week
United States
$1932
- +
Product Description
Catalog Number:
AG009C9W
Chemical Name:
Bmx-in-1
CAS Number:
1431525-23-3
Molecular Formula:
C29H24N4O4S
Molecular Weight:
524.5903
MDL Number:
MFCD25372042
IUPAC Name:
N-[5-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide
InChI:
InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
InChI Key:
SFMJNHNUOVADRW-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cc(ccc1C)n1c(=O)ccc2c1c1cc(ccc1nc2)c1ccc(cc1)NS(=O)(=O)C
Properties
Complexity:
1030  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.152g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
524.595g/mol
Monoisotopic Mass:
524.152g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Discovery of a selective irreversible BMX inhibitor for prostate cancer. ACS chemical biology 20130719
Properties